Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)Nc1cccc(C(=O)NCCc2c[nH]c3ccc(F)cc23)c1 |
MW: | 417.444 |
Fraction sp3: | 0.09 |
HBA: | 3 |
HBD: | 4 |
Rotatable Bonds: | 6 |
TPSA: | 98.91 |
cLogP: | 4.3185 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-37f1d6fa-7
0.758
MAK-UNK-37f1d6fa-1
0.673
MAK-UNK-37f1d6fa-3
0.629
MAK-UNK-37f1d6fa-2
0.588
MAK-UNK-37f1d6fa-4
0.558
AAR-POS-d2a4d1df-2
0.494
MAK-UNK-be5ffcbc-8
0.478
NAU-LAT-81109c57-8
0.462
ASH-UNK-40b46b30-7
0.448
NAU-LAT-81109c57-1
0.442
MAK-UNK-10572812-14
0.441
MAR-TRE-92684b97-67
0.429
NAU-LAT-81109c57-4
0.427
NAU-LAT-81109c57-2
0.426
MAK-UNK-129dcd6f-9
0.424
MAK-UNK-10572812-16
0.420
MAK-UNK-10dfa458-24
0.416
MAK-UNK-be5ffcbc-1
0.416
FRA-LAB-04e32718-1
0.413
MAR-TRE-be9ff7d2-73
0.412
MAK-UNK-10572812-15
0.412
MAK-UNK-10572812-6
0.411
MAK-UNK-10572812-9
0.410
MAK-UNK-be5ffcbc-7
0.404
MAK-UNK-10572812-7
0.400
MAK-UNK-10572812-8
0.397
MAK-UNK-be5ffcbc-3
0.396
BAR-COM-21d20d65-9
0.396
MAR-TRE-c317dd82-56
0.394
MAR-TRE-04c86cea-51
0.393
BAR-COM-21d20d65-5
0.392
WAR-XCH-eb7b662f-6
0.389
MAK-UNK-10572812-3
0.387
TAM-UNI-c140e31a-3
0.381
MAK-UNK-10572812-17
0.380
WIL-UNI-5578df48-21
0.376
TAM-UNI-c140e31a-22
0.376
BAR-COM-21d20d65-3
0.375
DAR-DIA-23aa0b97-14
0.374
JAN-GHE-83b26c96-19
0.374
JOR-UNI-2fc98d0b-7
0.374
WAR-XCH-eb7b662f-7
0.374
BAR-COM-21d20d65-2
0.371
WIL-UNI-5578df48-28
0.370
BAR-COM-21d20d65-4
0.369
BAR-COM-21d20d65-8
0.369
SAN-PRS-3c4a6997-4
0.368
WIL-UNI-5578df48-26
0.366
MAR-TRE-85681e92-60
0.365
WIL-UNI-5578df48-22
0.361
JOR-UNI-61e7b1d5-2
0.358
WAR-XCH-eb7b662f-1
0.358
DAR-DIA-23aa0b97-5
0.358
ANN-UNI-26382800-4
0.358
AAR-POS-d2a4d1df-11
0.356
WIL-UNI-5578df48-24
0.356
BAR-COM-21d20d65-7
0.355
WIL-UNI-5578df48-14
0.350
WIL-UNI-5578df48-19
0.350
MAR-TRE-e82e6c98-51
0.349
MAR-TRE-4f781e27-82
0.349
BAR-COM-21d20d65-6
0.349
ABI-SAT-30e287c1-2
0.347
JOH-MSK-35a8745a-1
0.347
MAR-UCB-195bc32d-21
0.347
ALE-ACE-2610ee4d-1
0.347
BAR-COM-21d20d65-1
0.343
MAK-UNK-de8f6d00-2
0.342
WIL-UNI-5578df48-1
0.337
WIL-UNI-5578df48-20
0.337
WIL-UNI-5578df48-29
0.336
MAK-UNK-ae34c249-2
0.336
DAR-DIA-23aa0b97-15
0.333
MAR-TRE-7f7bb9f0-83
0.330
WAR-XCH-6eb0722e-5
0.330
WIL-UNI-5578df48-27
0.330
MAK-UNK-129dcd6f-2
0.330
JOH-MEM-4bb7e4cc-1
0.330
MAT-GIT-deadff56-1
0.330
DUN-NEW-f8ce3686-12
0.330
WIL-UNI-5578df48-15
0.330
JOH-MSK-a63bdd1d-4
0.330
MAR-UCB-195bc32d-16
0.330
MAK-UNK-a7b37c5e-5
0.330
ALE-HEI-f28a35b5-15
0.330
WIL-UNI-5578df48-32
0.327
SAD-SAT-135344c3-7
0.327
MAK-UNK-d1e89583-8
0.327
SAN-PRS-3c4a6997-1
0.327
WIL-UNI-5578df48-30
0.324
WIL-UNI-5578df48-23
0.324
WAR-XCH-eb7b662f-3
0.323
WAR-XCH-6eb0722e-6
0.321
MAK-UNK-009ebe36-2
0.321
ASH-UNK-40b46b30-1
0.321
EMI-TUK-a58865cc-1
0.321
IAN-BAS-df1706d7-1
0.320
AAR-UNI-c25c2f1e-30
0.320
DAR-DIA-842b4336-7
0.320
MAK-UNK-30aad1f1-6
0.319